2-bromopyridin-3-ol

C5H4BrNO — CID 23070

IUPAC2-bromopyridin-3-ol
SMILESOc1cccnc1Br
InChIInChI=1S/C5H4BrNO/c6-5-4(8)2-1-3-7-5/h1-3,8H
InChIKeyYKHQFTANTNMYPP-UHFFFAOYSA-N
MW174.00 g/mol
LogP1.55
Rot. Bonds

About 2-bromopyridin-3-ol

2-bromopyridin-3-ol (PubChem CID 23070) has the molecular formula C5H4BrNO and a molecular weight of 174.00 g/mol. Its IUPAC name is 2-bromopyridin-3-ol.

Molecular Properties

Compound Name2-bromopyridin-3-ol
PubChem CID23070
Molecular FormulaC5H4BrNO
Molecular Weight174.00 g/mol
Exact Mass172.95
IUPAC Name2-bromopyridin-3-ol
SMILESOc1cccnc1Br
InChIInChI=1S/C5H4BrNO/c6-5-4(8)2-1-3-7-5/h1-3,8H
InChIKeyYKHQFTANTNMYPP-UHFFFAOYSA-N
XLogP1.55
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.00
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromopyridin-3-ol?
The IUPAC name of 2-bromopyridin-3-ol (CID 23070) is 2-bromopyridin-3-ol.
What is the SMILES notation for 2-bromopyridin-3-ol?
The canonical SMILES for 2-bromopyridin-3-ol is Oc1cccnc1Br.
What is the InChIKey of 2-bromopyridin-3-ol?
The InChIKey is YKHQFTANTNMYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrNO/c6-5-4(8)2-1-3-7-5/h1-3,8H.
What are the key properties of 2-bromopyridin-3-ol?
2-bromopyridin-3-ol has a molecular weight of 174.00 g/mol, XLogP of 1.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromopyridin-3-ol is sourced from PubChem (CID 23070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).